Empirical rules for efficiently determining the structures and configurations of natural compounds via 1D NMR.

Determining the chemical structures and stereochemistry of natural compounds present in trace amounts via derivatization or hydrolysis is a considerable challenge. Nonetheless, when employing conventional deuterated reagents, consistent patterns in the subtle variations in chemical shifts and coupling constants observed in the 1H or 13C NMR spectra may provide a straightforward and reliable approach for the structural elucidation in specific cases. Importantly, the 1D NMR-based empirical method presented herein is simple to perform and does not require additional support from other techniques. This mini-review is the first to thoroughly compile these empirical rules by combining our research with existing studies.